Geometry & MOs

Info

ID:	302732
PubChem CID:	124393809
Reduced:	ClFSO2N5C21H21 (1)
Stoich.:	ABCD2E5F21G21 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	6.33
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[4-(2-methylpropoxy)phenyl]-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C)[C@@H](C)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations